Molecule

ID:26214

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₉N
Molecular Mass
165.27526
Exact Mass
165.15174961
Charge
0
InChI
InChI=1S/C11H19N/c12-7-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10H,1-7,12H2
InChIKey
XSOHXMFFSKTSIT-UHFFFAOYSA-N
Canonic Smiles
NCC12CC3CC(C2)CC(C1)C3
Isomeric Smiles
C12(CC3CC(C1)CC(C2)C3)CN
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.2145945
LogD (pH = 7.4)
-0.5923538
Log P
1.8004308
Molar Refractivity
50.1033
Polarizability
20.35101
Polar Surface Area
26.02
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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